Name: Name:Benzoic acid, 5-methyl-2-(methylsulfonyl)-, methyl ester
Brand: Angene
SKU: AG0012G0
Rating: 90 (10 reviews)

Benzoic acid, 5-methyl-2-(methylsulfonyl)-, methyl ester

CAS No.:

1368374-12-2

Catalog Number:

AG0012G0

Molecular Formula:

C10H12O4S

Molecular Weight:

228.2649

Catalog Number:

AG0012G0

Chemical Name:

Benzoic acid, 5-methyl-2-(methylsulfonyl)-, methyl ester

CAS Number:

1368374-12-2

Molecular Formula:

C10H12O4S

Molecular Weight:

228.2649

MDL Number:

MFCD28101619

IUPAC Name:

methyl 5-methyl-2-methylsulfonylbenzoate

InChI:

InChI=1S/C10H12O4S/c1-7-4-5-9(15(3,12)13)8(6-7)10(11)14-2/h4-6H,1-3H3

InChI Key:

IUBYHAGXBWUIOT-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(C)ccc1S(=O)(=O)C

Complexity:

328

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.262g/mol

Monoisotopic Mass:

228.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4